element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:28:55       -8.456600         1.128650
BFGS:    1 21:28:55       -8.505880         0.904932
BFGS:    2 21:28:55       -8.580292         0.041484
BFGS:    3 21:28:56       -8.580416         0.007227
BFGS:    4 21:28:56       -8.580419         0.000046
BFGS:    5 21:28:56       -8.580419         0.000000
BFGS:    6 21:28:57       -8.580419         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.83792599943792e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8636457767253223, 1.5224851700120116e-33, 3.222599293320816e-33], [-1.4821885652216656e-33, 2.8636457767253223, -5.594900062718324e-20], [1.4460695732316252e-34, -5.594900062722609e-20, 2.8636457767253223]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.83792600e-14 -2.83792600e-14 -2.83792600e-14  6.29057340e-30
  3.91426877e-35 -1.06157483e-53]
energy per atom =  -4.290209683858312
===============================================